SCHEMBL5482308

SCHEMBL5482308

CC1(C)CCC(CC2CCCCC2)CC1(N)N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATP1A1 P05023 2/20 0.34
ATP1B1 P05026 2/20 0.34
ATP1A3 P13637 2/20 0.34
ATP1B2 P14415 2/20 0.34
ATP1A2 P50993 2/20 0.34
ATP1B3 P54709 2/20 0.34
FXYD2 P54710 2/20 0.34
ATP1A4 Q13733 2/20 0.34
SIGMAR1 Q99720 4/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL73173 0.85 ATP1A1 (0.34) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL9063863 0.80 ATP1A1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL8089126 0.77 ATP1A1 (0.32) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL16619589 0.75 NOS1 (0.32) NOS1NOS2
Ethane SCHEMBL27621691 0.74 NOS1 (0.34) SIGMAR1NOS1NOS2
SCHEMBL11165385 0.74
SCHEMBL36965 0.73 NOS1 (0.36) SIGMAR1NOS1NOS2
SCHEMBL5189141 0.72 ATP1A1 (0.34) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL5482825 0.72 NOS1 (0.33) SIGMAR1NOS1NOS2
SCHEMBL8740806 0.70 NOS1 (0.34) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070294841-A1 Process for Tinting, Dyeing or doping or moulded Components Made of Transparent (Co)Polyamides in Aqueous Dye Bath EMS-CHEMIE AG (CH) 2007-12-27 US disclosed
US-20060230553-A1 Process for tinting, dyeing or doping of moulded components made of transparent (co)polyamides in aqueous dye bath EMS-CHEMIE AG (CH) 2006-10-19 US disclosed